Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-1.8846 -5.3114 0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9083 -4.5006 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2173 -3.6640 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3771 -2.3013 0.6193 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0337 -1.7172 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5995 -2.4382 -1.4053 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1776 -0.2508 -0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5832 0.5412 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0247 0.1810 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2950 -1.0586 0.2134 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 1.1482 -0.0376 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3400 0.7773 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8255 0.1115 1.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8100 0.5868 1.8561 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6333 0.0090 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0506 1.4056 -0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2364 2.2962 -1.2567 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3907 1.8023 -0.8481 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8088 3.1211 -1.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1738 4.0900 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8880 4.8470 0.6924 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2950 0.0370 -2.0942 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4070 -5.9383 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1656 -5.3527 1.3778 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5795 -4.4179 -1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6823 -3.7705 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8558 -3.9128 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2355 0.1535 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4248 1.6164 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9828 1.6452 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4184 0.0014 -0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3457 -0.8039 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2966 1.4983 1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1430 0.0879 2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9999 -0.2228 0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2266 -0.6770 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6203 3.4820 -2.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8967 3.1582 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0983 4.1650 -0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9657 4.7312 0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3772 5.5405 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 -0.6955 -2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers